REMARK Name = BDB024553 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.332 1.727 -0.488 0.00 0.00 +0.407 C ATOM 2 N LIG 1 4.646 0.502 -0.563 0.00 0.00 -0.234 N ATOM 3 C LIG 1 5.358 -0.721 -1.010 0.00 0.00 +0.082 C ATOM 4 C LIG 1 6.374 -1.194 0.046 0.00 0.00 +0.028 C ATOM 5 C LIG 1 4.450 -1.919 -1.336 0.00 0.00 +0.027 C ATOM 6 C LIG 1 3.188 -1.461 -2.029 0.00 0.00 +0.041 C ATOM 7 C LIG 1 2.476 -0.527 -1.096 0.00 0.00 +0.002 A ATOM 8 C LIG 1 1.074 -0.560 -0.940 0.00 0.00 +0.094 A ATOM 9 N LIG 1 0.167 -1.396 -1.536 0.00 0.00 -0.232 NA ATOM 10 C LIG 1 -1.017 -1.035 -1.087 0.00 0.00 +0.111 A ATOM 11 N LIG 1 -0.907 0.019 -0.193 0.00 0.00 -0.324 N ATOM 12 C LIG 1 0.434 0.338 -0.092 0.00 0.00 +0.069 A ATOM 13 C LIG 1 1.152 1.292 0.631 0.00 0.00 +0.030 A ATOM 14 C LIG 1 2.543 1.326 0.464 0.00 0.00 +0.026 A ATOM 15 C LIG 1 3.219 0.443 -0.388 0.00 0.00 +0.045 A ATOM 16 O LIG 1 4.850 2.813 -0.184 0.00 0.00 -0.226 OA ENDROOT BRANCH 11 17 ATOM 17 C LIG 1 -2.023 0.687 0.473 0.00 0.00 +0.089 C ATOM 18 C LIG 1 -2.305 2.099 -0.079 0.00 0.00 +0.026 C ATOM 19 C LIG 1 -2.093 3.219 0.936 0.00 0.00 +0.015 C ATOM 20 C LIG 1 -2.823 2.999 2.272 0.00 0.00 +0.075 C ATOM 21 C LIG 1 -3.043 1.514 2.610 0.00 0.00 +0.015 C ATOM 22 C LIG 1 -1.962 0.621 2.007 0.00 0.00 +0.026 C BRANCH 20 23 ATOM 23 C LIG 1 -2.063 3.716 3.386 0.00 0.00 +0.214 C ATOM 24 O LIG 1 -1.493 3.152 4.312 0.00 0.00 -0.276 OA ATOM 25 N LIG 1 -2.030 5.076 3.279 0.00 0.00 -0.329 N ATOM 26 H LIG 1 -2.582 5.591 2.608 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 -1.567 5.588 4.019 0.00 0.00 +0.145 HD ENDBRANCH 20 23 ENDBRANCH 11 17 BRANCH 1 29 ATOM 28 C LIG 1 7.386 2.831 -0.811 0.00 0.00 +0.282 C ATOM 29 O LIG 1 6.647 1.609 -0.847 0.00 0.00 -0.453 OA ENDBRANCH 1 29 BRANCH 10 30 ATOM 30 C LIG 1 -2.296 -1.690 -1.505 0.00 0.00 +0.079 C BRANCH 30 31 ATOM 31 C LIG 1 -2.708 -2.781 -0.516 0.00 0.00 +0.043 C BRANCH 31 32 ATOM 32 C LIG 1 -4.048 -3.378 -0.872 0.00 0.00 -0.047 A ATOM 33 C LIG 1 -4.141 -4.371 -1.857 0.00 0.00 +0.003 A ATOM 34 C LIG 1 -5.381 -4.910 -2.202 0.00 0.00 +0.000 A ATOM 35 C LIG 1 -6.538 -4.459 -1.569 0.00 0.00 +0.000 A ATOM 36 C LIG 1 -6.457 -3.470 -0.591 0.00 0.00 +0.000 A ATOM 37 C LIG 1 -5.217 -2.929 -0.245 0.00 0.00 +0.003 A ENDBRANCH 31 32 ENDBRANCH 30 31 ENDBRANCH 10 30 TORSDOF 6